2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine

C42H52N4 — CID 118133804

IUPAC2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
SMILESCC(C)c1cccc(N2CCN(c3cccc(C(C)C)c3)C2=C2N(c3cccc(C(C)C)c3)CCN2c2cccc(C(C)C)c2)c1
InChIInChI=1S/C42H52N4/c1-29(2)33-13-9-17-37(25-33)43-21-22-44(38-18-10-14-34(26-38)30(3)4)41(43)42-45(39-19-11-15-35(27-39)31(5)6)23-24-46(42)40-20-12-16-36(28-40)32(7)8/h9-20,25-32H,21-24H2,1-8H3
InChIKeyPOEMOTVPOMANLI-UHFFFAOYSA-N
MW612.91 g/mol
LogP10.66
Rot. Bonds8

About 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine

2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine (PubChem CID 118133804) has the molecular formula C42H52N4 and a molecular weight of 612.91 g/mol. Its IUPAC name is 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine.

Molecular Properties

Compound Name2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
PubChem CID118133804
Molecular FormulaC42H52N4
Molecular Weight612.91 g/mol
Exact Mass612.42
IUPAC Name2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
SMILESCC(C)c1cccc(N2CCN(c3cccc(C(C)C)c3)C2=C2N(c3cccc(C(C)C)c3)CCN2c2cccc(C(C)C)c2)c1
InChIInChI=1S/C42H52N4/c1-29(2)33-13-9-17-37(25-33)43-21-22-44(38-18-10-14-34(26-38)30(3)4)41(43)42-45(39-19-11-15-35(27-39)31(5)6)23-24-46(42)40-20-12-16-36(28-40)32(7)8/h9-20,25-32H,21-24H2,1-8H3
InChIKeyPOEMOTVPOMANLI-UHFFFAOYSA-N
XLogP10.66
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.91
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine?
The IUPAC name of 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine (CID 118133804) is 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine.
What is the SMILES notation for 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine?
The canonical SMILES for 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine is CC(C)c1cccc(N2CCN(c3cccc(C(C)C)c3)C2=C2N(c3cccc(C(C)C)c3)CCN2c2cccc(C(C)C)c2)c1.
What is the InChIKey of 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine?
The InChIKey is POEMOTVPOMANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N4/c1-29(2)33-13-9-17-37(25-33)43-21-22-44(38-18-10-14-34(26-38)30(3)4)41(43)42-45(39-19-11-15-35(27-39)31(5)6)23-24-46(42)40-20-12-16-36(28-40)32(7)8/h9-20,25-32H,21-24H2,1-8H3.
What are the key properties of 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine?
2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine has a molecular weight of 612.91 g/mol, XLogP of 10.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine is sourced from PubChem (CID 118133804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).